N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide

C20H20N2O2 — CID 2876744

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H20N2O2/c1-3-17(23)22-18(15-8-6-13(2)7-9-15)16-11-10-14-5-4-12-21-19(14)20(16)24/h4-12,18,24H,3H2,1-2H3,(H,22,23)
InChIKeyVINGTFWNMOXCNQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.86
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide

N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide (PubChem CID 2876744) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide
PubChem CID2876744
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H20N2O2/c1-3-17(23)22-18(15-8-6-13(2)7-9-15)16-11-10-14-5-4-12-21-19(14)20(16)24/h4-12,18,24H,3H2,1-2H3,(H,22,23)
InChIKeyVINGTFWNMOXCNQ-UHFFFAOYSA-N
XLogP3.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide (CID 2876744) is N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide is CCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide?
The InChIKey is VINGTFWNMOXCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-17(23)22-18(15-8-6-13(2)7-9-15)16-11-10-14-5-4-12-21-19(14)20(16)24/h4-12,18,24H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide?
N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide has a molecular weight of 320.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 2876744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).